Home > Compound List > Compound details
877385-86-9 molecular structure
click picture or here to close

2-cyclopropyl-1,3-thiazole-5-carbaldehyde

ChemBase ID: 88465
Molecular Formular: C7H7NOS
Molecular Mass: 153.20158
Monoisotopic Mass: 153.02483485
SMILES and InChIs

SMILES:
s1c(cnc1C1CC1)C=O
Canonical SMILES:
O=Cc1cnc(s1)C1CC1
InChI:
InChI=1S/C7H7NOS/c9-4-6-3-8-7(10-6)5-1-2-5/h3-5H,1-2H2
InChIKey:
ORNIFVGIJQCIMW-UHFFFAOYSA-N

Cite this record

CBID:88465 http://www.chembase.cn/molecule-88465.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-cyclopropyl-1,3-thiazole-5-carbaldehyde
IUPAC Traditional name
2-cyclopropyl-1,3-thiazole-5-carbaldehyde
Synonyms
2-cyclopropyl-1,3-thiazole-5-carbaldehyde
2-Cyclopropyl-5-formyl-1,3-thiazole
2-Cyclopropyl-1,3-thiazole-5-carboxaldehyde
CAS Number
877385-86-9
MDL Number
MFCD14615179
PubChem SID
162075413
PubChem CID
45121688

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 45121688 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3797356  LogD (pH = 7.4) 1.37984 
Log P 1.3798413  Molar Refractivity 39.4744 cm3
Polarizability 14.774406 Å3 Polar Surface Area 29.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.353 expand Show data source
Storage Warning
Harmful/Irritant/Keep Cold expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle